Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex

Richard Malham, Sarah Johnstone, Richard J. Bingham, Elizabeth Barratt, Simon E V Phillips, Charles A. Laughton, Steve W. Homans

Research output: Contribution to journalArticle

63 Citations (Scopus)

Abstract

The contributions of solute-solute dispersion interactions to binding thermodynamics have generally been thought to be small, due to the surmised equality between solute-solvent dispersion interactions prior to the interaction versus solute-solute dispersion interactions following the interaction. The thermodynamics of binding of primary alcohols to the major urinary protein (MUP-I) indicate that this general assumption is not justified. The enthalpy of binding becomes more favorable with increasing chain length, whereas the entropy of binding becomes less favorable, both parameters showing a linear dependence. Despite the hydrophobicity of the interacting species, these data show that binding is not dominated by the classical hydrophobic effect, but can be attributed to favorable ligand-protein dispersion interactions.

Original languageEnglish
Pages (from-to)17061-17067
Number of pages7
JournalJournal of the American Chemical Society
Volume127
Issue number48
DOIs
Publication statusPublished - 7 Dec 2005
Externally publishedYes

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Thermodynamics
Ligands
Proteins
Entropy
Hydrophobic and Hydrophilic Interactions
Alcohols
Hydrophobicity
Chain length
Enthalpy
major urinary proteins

Cite this

Malham, R., Johnstone, S., Bingham, R. J., Barratt, E., Phillips, S. E. V., Laughton, C. A., & Homans, S. W. (2005). Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. Journal of the American Chemical Society, 127(48), 17061-17067. https://doi.org/10.1021/ja055454g
Malham, Richard ; Johnstone, Sarah ; Bingham, Richard J. ; Barratt, Elizabeth ; Phillips, Simon E V ; Laughton, Charles A. ; Homans, Steve W. / Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. In: Journal of the American Chemical Society. 2005 ; Vol. 127, No. 48. pp. 17061-17067.
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Malham, R, Johnstone, S, Bingham, RJ, Barratt, E, Phillips, SEV, Laughton, CA & Homans, SW 2005, 'Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex', Journal of the American Chemical Society, vol. 127, no. 48, pp. 17061-17067. https://doi.org/10.1021/ja055454g

Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. / Malham, Richard; Johnstone, Sarah; Bingham, Richard J.; Barratt, Elizabeth; Phillips, Simon E V; Laughton, Charles A.; Homans, Steve W.

In: Journal of the American Chemical Society, Vol. 127, No. 48, 07.12.2005, p. 17061-17067.

Research output: Contribution to journalArticle

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